1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea

C11H19ClN2O — CID 108913903

IUPAC1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
SMILESC/C(=C\NC(=O)NCCCl)C1CCCC1
InChIInChI=1S/C11H19ClN2O/c1-9(10-4-2-3-5-10)8-14-11(15)13-7-6-12/h8,10H,2-7H2,1H3,(H2,13,14,15)/b9-8+
InChIKeyVFCOLABITQMHMM-CMDGGOBGSA-N
MW230.74 g/mol
LogP2.62
Rot. Bonds4

About 1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea

1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea (PubChem CID 108913903) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
PubChem CID108913903
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
SMILESC/C(=C\NC(=O)NCCCl)C1CCCC1
InChIInChI=1S/C11H19ClN2O/c1-9(10-4-2-3-5-10)8-14-11(15)13-7-6-12/h8,10H,2-7H2,1H3,(H2,13,14,15)/b9-8+
InChIKeyVFCOLABITQMHMM-CMDGGOBGSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea
CID 108913992
3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid
CID 108915296
1-cyclopentyl-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108913852
methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate
CID 108915612
1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108915421
N-[(E)-2-cyclopentylprop-1-enyl]-4-methylpiperidine-1-carboxamide
CID 108913842
N-[(E)-2-cyclopropylprop-1-enyl]pyrrolidine-1-carboxamide
CID 108915443
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,6-difluorophenyl)urea
CID 108913961
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 108915633
4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide
CID 108913928
3-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzoic acid
CID 108913800
1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea
CID 108914095

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea?
The IUPAC name of 1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea (CID 108913903) is 1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea.
What is the SMILES notation for 1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea?
The canonical SMILES for 1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea is C/C(=C\NC(=O)NCCCl)C1CCCC1.
What is the InChIKey of 1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea?
The InChIKey is VFCOLABITQMHMM-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-9(10-4-2-3-5-10)8-14-11(15)13-7-6-12/h8,10H,2-7H2,1H3,(H2,13,14,15)/b9-8+.
What are the key properties of 1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea?
1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea has a molecular weight of 230.74 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea is sourced from PubChem (CID 108913903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).